Search arXivSearch

arXiv · physics/0105098

Unified description of magic numbers of metal clusters in terms of the 3-dimensional q-deformed harmonic oscillator

Abstract

Magic numbers predicted by a 3-dimensional q-deformed harmonic oscillator with Uq(3)>SOq(3) symmetry are compared to experimental data for atomic clusters of alkali metals (Li, Na, K, Rb, Cs), noble metals (Cu, Ag, Au), divalent metals (Zn, Cd), and trivalent metals (Al, In), as well as to theoretical predictions of jellium models, Woods-Saxon and wine bottle potentials, and to the classification scheme using the 3n+l pseudo quantum number. In alkali metal clusters and noble metal clusters the 3-dimensional q-deformed harmonic oscillator correctly predicts all experimentally observed magic numbers up to 1500 (which is the expected limit of validity for theories based on the filling of electronic shells), while in addition it gives satisfactory results for the magic numbers of clusters of divalent metals and trivalent metals, thus indicating that Uq(3), which is a nonlinear extension of the U(3) symmetry of the spherical (3-dimensional isotropic) harmonic oscillator, is a good candidate for being the symmetry of systems of several metal clusters. The Taylor expansions of angular momentum dependent potentials approximately producing the same spectrum as the 3-dimensional q-deformed harmonic oscillator are found to be similar to the Taylor expansions of the symmetrized Woods-Saxon and wine-bottle symmetrized Woods-Saxon potentials, which are known to provide successful fits of the Ekardt potentials.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

D. Bonatsos, N. Karoussos, D. Lenis, P. P. Raychev, R. P. Roussev, P. A. Terziev. 2001-05-29. Unified description of magic numbers of metal clusters in terms of the 3-dimensional q-deformed harmonic oscillator. https://doi.org/10.1103/physreva.62.013203

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Hydrogen isotope mixing entropy in ammonia clusters

Measured evaporation branching ratios of partially deuterated isotopologues of protonated ammonia clusters (NH$_3$)$_N$ H$^+$ ($N \geq 8$) show ratios that depend only on the clusters' deuterium mole fraction. This demonstrates randomly distributed protium and deuterium in the molecules and can be used to determine free energy differences in the product cluster. The entropy thus determined is exclusively the deuterium-protium mixing entropy. The relative dissociation energies of the four isotopologues are determined and with the support of quantum chemistry calculations, their absolute values are estimated.

physics.atm-clus

What is superatom?

The term "superatom" was introduced over three decades ago to describe clusters that emulate elemental atoms. The field has long been guided by the spherical jellium model, where magic numbers arise from shell closure of delocalized electrons. This Perspective argues that delocalization, not near-sphericity, is what makes a system atom-like. It shows that superatomic shell structure persists under arbitrary point-group symmetry, that superatomicity survives as a tunable quantum state across pressurized, ionized, and chemically precompressed systems, and that the symmetry rules governing superatoms are conditional, deeper than the jellium picture admits. The future of this field lies not in finding more magic numbers, but in exploiting superatomic states as artificial quantum systems at the atomic level.

physics.atm-clus

Electron scattering from polar hydrides using relativistic optical potential method

We extend the relativistic spherical complex optical-potential method with group additivity developed in our recent work [S. Arya and B. Antony, \textit{RSC Adv.} \textbf{16}, 13548--13558 (2026)] to molecules with permanent dipole moments. The short-range electronic collision is described by a central Dirac partial-wave calculation, while the missing anisotropic long-range dipole interaction is restored through a rotationally resolved first-Born contribution. The rotational thresholds, state-to-state transition-dipole strengths, and thermal populations are obtained from the HITRAN2024 spectroscopic database and thermally reweighted at the adopted rotational temperature. Both excitation and superelastic de-excitation channels are included. Electron scattering from benchmark polar hydrides ($\rm H_2O$, $\rm H_2S$, $\rm NH_3$, and $\rm PH_3$) is investigated over the incident-energy range 0.1--10,000 eV. We report vibrationally elastic, differential, integral, and momentum-transfer cross sections, together with a total cross section that also contains electronically inelastic loss from the quasifree absorption potential. The calculations reproduce the broad experimental and recommended trends over a wide energy range. The largest deviations are confined mainly to the low-energy and resonance-sensitive regions. Overall, the agreement improves substantially from the tens-of-eV region upward. The method therefore retains the low computational cost and wide energy coverage of the optical-potential approach while adding the long-range rotational physics needed for polar molecules.

physics.atm-clus